Geometry & MOs

Info

ID:	341776
PubChem CID:	127264469
Reduced:	NO6C15H19 (1)
Stoich.:	AB6C15D19 (1)
Weight, g/mol:	622.444878
ΔH_f, kcal/mol:	-238.06
Dipole, Da:	1.45
IP(EA), eV:	-9.69(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-7-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-1-enyl]-5-oxocyclopentyl]hept-2-enoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)COC(=O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)COC(=O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):